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Bicyclo[1.1.1]pentane-1-acetic acid
SpectraBase Compound ID n4CapQzM6O
InChI InChI=1S/C7H10O2/c8-6(9)4-7-1-5(2-7)3-7/h5H,1-4H2,(H,8,9)
InChIKey ZXUMFNBFVORNQL-UHFFFAOYSA-N
Mol Weight 126.15 g/mol
Molecular Formula C7H10O2
Exact Mass 126.06808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LD8WfVKDbU
Name Bicyclo[1.1.1]pentane-1-acetic acid
CAS Registry Number 131515-31-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H10O2
InChI InChI=1S/C7H10O2/c8-6(9)4-7-1-5(2-7)3-7/h5H,1-4H2,(H,8,9)
InChIKey ZXUMFNBFVORNQL-UHFFFAOYSA-N
Molecular Weight 126.155 g/mol
SMILES OC(CC12CC(C2)C1)=O
SPLASH splash10-017i-9000000000-6c503f72545e681c49fa
Source of Spectrum J-56-313-14
Synonyms bicyclo[1.1.1]pent-1-ylacetic acid 2-(3-bicyclo[1.1.1]pentanyl)ethanoic acid
Wiley ID 1129950